Information card for entry 1512285

Structure parameters

• Formula: C70 H68 Cl8 Hg4 N10 O4 S2
• Calculated formula: C70 H68 Cl8 Hg4 N10 O4 S2
• Title of publication: Six-Membered Spirocycle Triggered Probe for Visualizing Hg(2+) in Living Cells and Bacteria-EPS-Mineral Aggregates.
• Authors of publication: Yang, Zheng; Hao, Likai; Yin, Bing; She, Mengyao; Obst, Martin; Kappler, Andreas; Li, Jianli
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 4334 - 4337
• a: 12.698 ± 0.004 Å
• b: 12.742 ± 0.004 Å
• c: 13.457 ± 0.004 Å
• α: 116.117 ± 0.004°
• β: 99.996 ± 0.005°
• γ: 98.015 ± 0.005°
• Cell volume: 1867.1 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No